4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide

C19H21Cl2NO2 — CID 70457768

IUPAC4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C19H21Cl2NO2/c1-12(2)17(18(22)23)11-19(24,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12,17,24H,11H2,1-2H3,(H2,22,23)
InChIKeyHHOYKJDYMFNDQC-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.38
Rot. Bonds6

About 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide

4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide (PubChem CID 70457768) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide.

Molecular Properties

Compound Name4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide
PubChem CID70457768
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C19H21Cl2NO2/c1-12(2)17(18(22)23)11-19(24,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12,17,24H,11H2,1-2H3,(H2,22,23)
InChIKeyHHOYKJDYMFNDQC-UHFFFAOYSA-N
XLogP4.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10039502
(2S)-2-(3-chlorophenyl)-2-hydroxynonanamide
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CID 24883322
2-(3-Chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide
CID 70693132
(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide
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4-(3,4-Dichlorophenyl)-4-hydroxyhexanamide
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3-Hydroxy-3-(3',4'-dichlorophenyl)pentanamide
CID 10149274
2-(2-Chloro-5-fluorophenyl)-3-(4-chlorophenyl)-2-hydroxypropanamide
CID 69950319
2-(4-Chloro-2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 140016714
2-(4-Chloro-3-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 140163364
3-(4-Chlorophenyl)-2,2-difluoro-3-hydroxybutanamide
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3-(4-chlorophenyl)-3-hydroxy-N,N-dimethyl-4-phenylbutanamide
CID 92011668

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide?
The IUPAC name of 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide (CID 70457768) is 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide.
What is the SMILES notation for 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide?
The canonical SMILES for 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide is CC(C)C(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide?
The InChIKey is HHOYKJDYMFNDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-12(2)17(18(22)23)11-19(24,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12,17,24H,11H2,1-2H3,(H2,22,23).
What are the key properties of 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide?
4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide has a molecular weight of 366.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide is sourced from PubChem (CID 70457768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).